|
GDP : Summary
Code
|
GDP
|
One-letter code
|
G
|
Molecule name
|
GUANOSINE-5'-DIPHOSPHATE
|
Systematic names
|
|
Formula
|
C10 H15 N5 O11 P2
|
Formal charge
|
0
|
Molecular weight
|
443.201 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
12.01 |
O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O |
SMILES
|
CACTVS |
3.385 |
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O |
SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N |
Canonical SMILES
|
CACTVS |
3.385 |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.6 |
c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N |
|
IUPAC InChI | InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1 |
IUPAC InChI key | QGWNDRXFNXRZMB-UUOKFMHZSA-N |
|
wwPDB Information |
Atom count
|
43 (28 without Hydrogen)
|
Polymer type
|
Ribonucleotide
|
Type description
|
RNA LINKING
|
Type code
|
HETAIN
|
Is modified
|
Yes
|
Standard parent
|
G
|
Defined at
|
1999-07-08
|
Last modified at
|
2014-05-12
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|